JTQ7H9V3RO
TL;DR: JTQ7H9V3RO (CAS 41920-57-4) is a chemical compound with molecular formula C19H20N3O6P and molecular weight 417.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[4-[bis(aziridin-1-yl)phosphoryloxy]phenoxy]carbonylamino]benzoate
Also Known As: 5-20-01-00109 (Beilstein Handbook Reference), Benzoic acid, 4-(((4-((bis(1-aziridinyl)phosphinyl)oxy)phenoxy)carbonyl)amino)-, methyl ester, Benzoic acid, p-(4-hydroxyphenoxycarbonylamino)-, methyl ester, ester with bis(1-aziridinyl)phosphinate, Phosphinic acid, bis(1-aziridinyl)-, p-(methoxycarbonylcarbaniloyloxy)phenyl ester, methyl 4-[[4-[bis(aziridin-1-yl)phosphoryloxy]phenoxy]carbon
| Molecular Formula | C19H20N3O6P |
|---|---|
| Molecular Weight | 417.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 97.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 417.10898 |
| Heavy Atoms | 29 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 41920-57-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)OC2=CC=C(C=C2)OP(=O)(N3CC3)N4CC4 |
| InChIKey | PUGINGMEBRJXLW-UHFFFAOYSA-N |
Product Overview
JTQ7H9V3RO (CAS 41920-57-4), with molecular formula C19H20N3O6P and molecular weight 417.11 g/mol. IUPAC: methyl 4-[[4-[bis(aziridin-1-yl)phosphoryloxy]phenoxy]carbonylamino]benzoate.
Chemical Property Profile of JTQ7H9V3RO
Property Insights of JTQ7H9V3RO
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for JTQ7H9V3RO. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for JTQ7H9V3RO. Following Lipinski's Rule of Five, JTQ7H9V3RO has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of JTQ7H9V3RO?
The CAS number of JTQ7H9V3RO is 41920-57-4.
What is the molecular formula of JTQ7H9V3RO?
The molecular formula of JTQ7H9V3RO is C19H20N3O6P.
What is the molecular weight of JTQ7H9V3RO?
The molecular weight of JTQ7H9V3RO is 417.11 g/mol.
Where can I buy JTQ7H9V3RO?
You can request a quote for JTQ7H9V3RO directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for JTQ7H9V3RO?
Yes, KEHONG BIO provides custom synthesis services for JTQ7H9V3RO and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.